4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol

C17H23NO3 — CID 106246545

IUPAC4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO3/c1-21-12-16(19)8-9-18-11-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-20H,8-9,11-12H2,1H3
InChIKeyDLFOKBIXYUXAMR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds8

About 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol

4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol (PubChem CID 106246545) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
PubChem CID106246545
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO3/c1-21-12-16(19)8-9-18-11-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-20H,8-9,11-12H2,1H3
InChIKeyDLFOKBIXYUXAMR-UHFFFAOYSA-N
XLogP1.86
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
2-(2-but-3-enoxyethylamino)-1-naphthalen-2-ylethanol
CID 106401540

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol (CID 106246545) is 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol is COCC(O)CCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol?
The InChIKey is DLFOKBIXYUXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-12-16(19)8-9-18-11-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-20H,8-9,11-12H2,1H3.
What are the key properties of 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol?
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106246545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).